SCHEMBL10249316

SCHEMBL10249316

C[C@H](NC1=NC(=O)[C@](C)(C(F)(F)F)S1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ROCK1 Q13464 2/20 0.39
AURKB Q96GD4 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
DCLK1 O15075 1/20 0.39
ROCK2 O75116 1/20 0.39
CHEK2 O96017 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
IRAK1 P51617 1/20 0.39
PRKX P51817 1/20 0.39
NEK4 P51957 1/20 0.39
PLK1 P53350 1/20 0.39
CSNK1G2 P78368 1/20 0.39
CDC42BPA Q5VT25 1/20 0.39
BRSK1 Q8TDC3 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
STK17A Q9UEE5 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10252636 1.00 LMNA (0.42) LMNATAAR1ROCK1AURKBCYP3A4
SCHEMBL5017235 1.00 LMNA (0.42) LMNATAAR1ROCK1AURKBCYP3A4
SCHEMBL14429378 0.88 MAPKAPK2 (0.41) MAPKAPK2CCNE2CCNE1CDK2IDH1
SCHEMBL5025281 0.88 MAPKAPK2 (0.41) MAPKAPK2CCNE2CCNE1CDK2IDH1
SCHEMBL10253172 0.88 HSD11B1 (0.34) LMNATAAR1MAPKAPK2IDH1HDAC1
SCHEMBL1604383 0.88 MAPKAPK2 (0.41) MAPKAPK2CCNE2CCNE1CDK2IDH1
SCHEMBL14429376 0.88 MAPKAPK2 (0.41) MAPKAPK2CCNE2CCNE1CDK2IDH1
SCHEMBL5459621 0.87 HSD11B1 (0.36) IDH1
SCHEMBL10284834 0.85 ALDH1A1 (0.38) CYP2C9KMT2AIDH1
SCHEMBL5465590 0.84 HSD11B1 (0.39) ARIDH1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-8541592-B2 Inhibitors of 11-beta-hydroxysteroid dehydrogenase type 1 AMGEN INC. (US) 2013-09-24 US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB 2012-01-12 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 US disclosed
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC. 2011-04-07 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
US-7807700-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN INC. (US) 2010-10-05 US disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110082107-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 LMNA 1410/4885TAAR1 3378/4885ROCK1 531/4885
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 LMNA 1410/4885TAAR1 3378/4885ROCK1 531/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 LMNA 1744/4885TAAR1 3498/4885ROCK1 1582/4885
US-20120010256-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD3B1, HSD17B1 LMNA 1410/4885TAAR1 3378/4885ROCK1 531/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 LMNA 2340/4885TAAR1 3322/4885ROCK1 506/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.